Geometry & MOs

Info

ID:	407284
PubChem CID:	135079749
Reduced:	SN2O3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	373.158589
ΔH_f, kcal/mol:	-61.98
Dipole, Da:	6.34
IP(EA), eV:	-9.43(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-2-hydroxy-4-(1-methylcyclohexa-2,5-dien-1-yl)-1-(2,4,6-trimethylphenyl)sulfonylbut-1-ene-1-diazonium

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)/C(=C(/CCC2(C=CCC=C2)C)\[O-])/[N+]#N)C

DOS

IR

Vibrations